2-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C21H24FN4O3+ MolecularWeight: 399.438663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N)F

InChI

InChI=1S/C21H23FN4O3/c1-14(27)15-6-7-19(17(22)12-15)26-10-8-25(9-11-26)13-20(28)24-18-5-3-2-4-16(18)21(23)29/h2-7,12H,8-11,13H2,1H3,(H2,23,29)(H,24,28)/p+1